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Yttrium oxalate tetrahydrate
Yttrium oxalate tetrahydrate ID: API-42648
CAS:867-68-5
Supplier:APIchem

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SMILES:[Y+3].[Y+3].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]	ChemMol.com
FORMULA: C6O12Y2
MASS: 441.8687
EXACT MASS: 441.7506714
INTERATOMIC DISTANCES

              Y   1      Y   2      O   3      O   4      O   5      O   6
              ------------------------------------------------------------------
   Y   1    0.0000 
   Y   2    4.3589     0.0000 
   O   3    1.0000     5.2445     0.0000 
   O   4    1.0000     4.6797     1.6180     0.0000 
   O   5    1.0000     3.4641     1.7820     1.7820     0.0000 
   O   6    3.4641     1.0000     4.3965     3.7046     2.6458     0.0000 
   O   7    5.1962     1.0000     6.1232     5.3932     4.3589     1.7320 
   O   8    4.5826     1.0001     5.3564     5.0881     3.6055     1.7321 
   O   9    2.5876     6.9460     1.7819     2.5876     3.5201     6.0457 
   O  10    2.5876     6.3804     2.5876     1.7819     3.5201     5.3865 
   O  11    2.0000     3.0000     2.9964     1.8366     1.7321     2.0000 
   O  12    3.0000     2.0000     3.6779     3.6779     2.0000     1.7321 
   O  13    6.9282     2.6457     7.8523     7.1027     6.0828     3.4641 
   O  14    6.0000     2.6458     6.6373     6.6373     5.0000     3.4641 
   C  15    5.5678     1.7321     6.3140     6.0881     4.5826     2.6458 
   C  16    6.0828     1.7320     6.9764     6.3452     5.1962     2.6457 
   C  17    2.6457     1.7321     3.5129     3.0883     1.7320     1.0001 
   C  18    1.7320     2.6458     2.6767     2.0886     1.0000     1.7321 
   C  19    1.6180     5.6742     1.6180     0.9999     2.5876     4.7031 
   C  20    1.6180     5.9716     0.9999     1.6180     2.5876     5.0580 

              O   7      O   8      O   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.7321     0.0000 
   O   9    7.7768     7.1211     0.0000 
   O  10    7.0124     6.8514     2.1756     0.0000 
   O  11    3.6055     3.6056     4.3772     3.4092     0.0000 
   O  12    3.0000     1.7320     5.4573     5.4573     2.6458     0.0000 
   O  13    1.7320     3.0000     9.5082     8.6794     5.2915     4.5826 
   O  14    3.0000     1.7320     8.4184     8.4184     5.2915     3.0000 
   C  15    2.0000     1.0000     8.0874     7.8509     4.5826     2.6457 
   C  16    1.0000     2.0000     8.6703     7.9918     4.5826     3.6056 
   C  17    2.6458     2.0000     5.2267     4.8529     1.7321     1.0000 
   C  18    3.4641     3.0000     4.3154     3.8542     1.0001     1.7320 
   C  19    6.3929     6.0499     1.7820     1.0000     2.8220     4.5663 
   C  20    6.7871     6.1914     1.0000     1.7820     3.3805     4.5663 

              O  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    3.4641     0.0000 
   C  15    2.6458     1.0000     0.0000 
   C  16    1.0000     2.6458     1.7321     0.0000 
   C  17    4.3589     3.6055     3.0000     3.4641     0.0000 
   C  18    5.1962     4.5826     4.0000     4.3589     1.0000     0.0000 
   C  19    8.1006     7.5554     7.0483     7.3448     4.0553     3.0608 
   C  20    8.5175     7.5554     7.1701     7.6904     4.2636     3.3317 

              C  19      C  20
              ----------------------
   C  19    0.0000 
   C  20    1.0000     0.0000 



ATOMIC CHARGES
   Y   1    0.0000000000
   Y   2    0.0000000000
   O   3   -0.5000000000
   O   4   -0.5000000000
   O   5   -0.5000000000
   O   6   -0.5000000000
   O   7   -0.5000000000
   O   8   -0.5000000000
   O   9   -0.5000000000
   O  10   -0.5000000000
   O  11   -0.5000000000
   O  12   -0.5000000000
   O  13   -0.5000000000
   O  14   -0.5000000000
   C  15    0.0000000000
   C  16    0.0000000000
   C  17    0.0000000000
   C  18    0.0000000000
   C  19    0.0000000000
   C  20    0.0000000000


BOND ANGLES
   8   15   14 O.co2  Cac O.co2    120.001
   8   15   16 O.co2  Cac  Cac     90.000
  14   15   16 O.co2  Cac  Cac    149.999
   7   16   13 O.co2  Cac O.co2    120.001
   7   16   15 O.co2  Cac  Cac     90.000
  13   16   15 O.co2  Cac  Cac    149.999
   6   17   12 O.co2  Cac O.co2    120.001
   6   17   18 O.co2  Cac  Cac    119.998
  12   17   18 O.co2  Cac  Cac    120.001
   5   18   11 O.co2  Cac O.co2    120.001
   5   18   17 O.co2  Cac  Cac    120.001
  11   18   17 O.co2  Cac  Cac    119.998
   4   19   10 O.co2  Cac O.co2    125.999
   4   19   20 O.co2  Cac  Cac    108.000
  10   19   20 O.co2  Cac  Cac    126.001
   3   20    9 O.co2  Cac O.co2    125.999
   3   20   19 O.co2  Cac  Cac    108.000
   9   20   19 O.co2  Cac  Cac    126.001


TORSION ANGLES
   8   15   16    7      0.026
   8   15   16   13    179.974
  14   15   16    7    179.974
  14   15   16   13      0.026
   6   17   18    5    179.974
   6   17   18   11      0.026
  12   17   18    5      0.026
  12   17   18   11    179.974
   4   19   20    3      0.026
   4   19   20    9    179.974
  10   19   20    3    179.974
  10   19   20    9      0.026